SCHEMBL30744835

SCHEMBL30744835

CC(C)Oc1cc(C(=O)O)nc2c(F)cccc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.45
GPR35 Q9HC97 1/20 0.42
GRM2 Q14416 1/20 0.41
ADORA2A P29274 3/20 0.41
MCL1 Q07820 3/20 0.41
AURKA O14965 1/20 0.40
NR1H4 Q96RI1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ATR Q13535 1/20 0.37
FDPS P14324 1/20 0.37
KMO O15229 1/20 0.37
XDH P47989 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30421043 0.85 ALOX15 (0.62) ALOX15GPR35GRM2ADORA2AAURKA
SCHEMBL30744853 0.82 ADORA2A (0.46) ALOX15GPR35GRM2ADORA2AAURKA
SCHEMBL30421019 0.79 ALOX15 (0.70) ALOX15MCL1NR1H4KDM4E
SCHEMBL18528809 0.79 ALOX15 (0.70) ALOX15MCL1NR1H4KDM4E
SCHEMBL9380983 0.79 KDM4E (0.53) ALOX15GPR35GRM2AURKAKDM4E
SCHEMBL30744879 0.77 KDM4E (0.51) ALOX15GPR35GRM2ADORA2AAURKA
SCHEMBL30744861 0.76 KMO (0.42) ALOX15GPR35GRM2AURKAKMO
SCHEMBL13977964 0.76 AURKA (0.59) ALOX15GRM2ADORA2AAURKAKDM4E
SCHEMBL3333164 0.76 GRM2 (0.48) ALOX15GRM2ADORA2AAURKAKDM4E
SCHEMBL8114876 0.75 GPR35 (0.54) ALOX15GPR35GRM2ADORA2AAURKA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN claimed
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN disclosed